cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid CAS Name: cyclohexanamine; [2-(phenylthio)-1-phosphonoethyl]phosphonic acid IUPAC Name: cyclohexanamine; (2-phenylsulfanyl-1-phosphonoethyl)phosphonic acid Traditional Name: cyclohexylamine; [2-(phenylthio)-1-phosphono-ethyl]phosphonic acid Formula: C14H25NO6P2S MolecularWeight: 397.363922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1=CC=C(C=C1)SCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)N.C1=CC=C(C=C1)SCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H12O6P2S.C6H13N/c9-15(10,11)8(16(12,13)14)6-17-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5,8H,6H2,(H2,9,10,11)(H2,12,13,14);6H,1-5,7H2